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Computational design of biofuels from terpenes and terpenoids

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Sustainable liquid biofuels and their environmental impact

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An implementation of the conductor-like screening model of solvation within the Amsterdam density functional package

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Catalytic control in terpenoid cyclases: multiscale modeling of thermodynamic, kinetic, and dynamic effects

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Combustion and emissions characterization of terpenes with a view to their biological production in cyanobacteria

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Biosynthesis of β-caryophyllene, a novel terpene-based high-density biofuel precursor, using engineered Escherichia coli

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Biofuel alternatives to ethanol: pumping the microbial well

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Plant-Derived Terpenes: A Feedstock for Specialty Biofuels

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Substantial improvements in methyl ketone production in E. coli and insights on the pathway from in vitro studies

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DFT studies of the hydrogen abstraction from primary alcohols by O2 in relation with cetane number data

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A Novel Group Contribution Method for the Prediction of the Derived Cetane Number of Oxygenated Hydrocarbons

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Chemical Control in the Battle against Fidelity in Promiscuous Natural Product Biosynthesis: The Case of Trichodiene Synthase

inferredcites →https://doi.org/10.1021/acscatal.7b01328openalex-snapshot

Electrostatic Control of Chemistry in Terpene Cyclases

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The path of chemical reactions - the IRC approach

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Density Functionals with Broad Applicability in Chemistry

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Hybrid Quantum and Classical Simulations of the Dihydrofolate Reductase Catalyzed Hydride Transfer Reaction on an Accurate Semi-Empirical Potential Energy Surface

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High-Density Renewable Diesel and Jet Fuels Prepared from Multicyclic Sesquiterpanes and a 1-Hexene-Derived Synthetic Paraffinic Kerosene

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High-Density Renewable Fuels Based on the Selective Dimerization of Pinenes

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Effect of the Cetane Number on the Combustion and Emissions of Diesel Engines by Chemical Kinetics Modeling

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Conductor-like Screening Model for Real Solvents: A New Approach to the Quantitative Calculation of Solvation Phenomena

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Reaction path following in mass-weighted internal coordinates

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Challenges Posed to Bornyl Diphosphate Synthase: Diverging Reaction Mechanisms in Monoterpenes

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Terpene Cyclizations inside a Supramolecular Catalyst: Leaving-Group-Controlled Product Selectivity and Mechanistic Studies

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Prediction of Vapor Pressures and Enthalpies of Vaporization Using a COSMO Solvation Model

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Density Functional Steric Analysis of Linear and Branched Alkanes

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Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

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Refinement and Parametrization of COSMO-RS

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Assessment of Gaussian-3 and Density Functional Theories for Enthalpies of Formation of C1−C16 Alkanes

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Microbial Synthesis of Pinene

inferredcites →https://doi.org/10.1021/sb5002517openalex-snapshot

Engineering Terpene Biosynthesis in Streptomyces for Production of the Advanced Biofuel Precursor Bisabolene

inferredcites →https://doi.org/10.1038/nature08721openalex-snapshot

Microbial production of fatty-acid-derived fuels and chemicals from plant biomass

inferredcites →https://doi.org/10.1038/nature11478openalex-snapshot

Microbial engineering for the production of advanced biofuels

inferredcites →https://doi.org/10.1038/nbt.2149openalex-snapshot

Design of a dynamic sensor-regulator system for production of chemicals and fuels derived from fatty acids

inferredcites →https://doi.org/10.1038/nchem.2181openalex-snapshot

Terpene cyclization catalysed inside a self-assembled cavity

inferredcites →https://doi.org/10.1038/nchembio.2007.5openalex-snapshot

The function of terpene natural products in the natural world

inferredcites →https://doi.org/10.1038/ncomms1494openalex-snapshot

Identification and microbial production of a terpene-based advanced biofuel

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Natural products as biofuels and bio-based chemicals: fatty acids and isoprenoids

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Many-electron self-interaction error in approximate density functionals

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Gaussian-4 theory using reduced order perturbation theory

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Natural bond orbital analysis of steric interactions

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Environmental, economic, and energetic costs and benefits of biodiesel and ethanol biofuels

inferredcites →https://doi.org/10.1103/physrevb.31.7588openalex-snapshot

Total-energy differences: Sources of error in local-density approximations

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Hybrid density functional calculations of redox potentials and formation energies of transition metal compounds

inferredcites →https://doi.org/10.1103/physrevb.82.132503openalex-snapshot

Pairing mechanism of iron pnictide superconductors

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Production of alternatives to fuel oil from organic waste by the alkane-producing bacterium, Vibrio furnissii M1

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The Path Forward for Biofuels and Biomaterials

inferredcites →https://doi.org/10.1126/science.1137016openalex-snapshot

Biomass Recalcitrance: Engineering Plants and Enzymes for Biofuels Production

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Microbial Biosynthesis of Alkanes

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Terminal Olefin (1-Alkene) Biosynthesis by a Novel P450 Fatty Acid Decarboxylase from Jeotgalicoccus Species

inferredcites →https://doi.org/10.1139/v09-008openalex-snapshot

An implementation of the conductor-like screening model of solvation within the Amsterdam density functional package — Part II. COSMO for real solvents

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Trends in auto emissions and gasoline composition.

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Biodiesel Handling and Use Guide (Fifth Edition)

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Compendium of Experimental Cetane Numbers

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New Biofuel Alternatives: Integrating Waste Management and Single Cell Oil Production

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Biofuels from algae: challenges and potential

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Modern physical organic chemistry

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National Renewable Energy Laboratory

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Nature's chemicals: the natural products that shaped our world

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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